SCHEMBL2939796

SCHEMBL2939796

CC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(Cl)C1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRB2 P47870 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 1/20 0.40
GABRA2 P47869 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL14776550 0.98 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL819976 0.83 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL820108 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1683077 0.80 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL1697559 0.78 DPP4 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL13698771 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL18649131 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL760008 0.72 LMNA (0.40) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL28716736 0.72 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL29501774 0.72 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654055-B1 MICROENCAPSULATED CATALYST-LIGAND SYSTEM, METHODS OF PREPARATION AND METHODS OF USE THEREOF REAXA LTD (GB) 2010-09-22 EP disclosed
US-20070027028-A1 Microencapsulated catalyst-ligand system, methods of preparation and methods of use thereof REAXA LIMITED (GB) 2007-02-01 US disclosed